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	hartrees
Energy at 0K	-79.711667
Energy at 298.15K	-79.717583
HF Energy	-79.257679
Nuclear repulsion energy	42.289870

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A_1g	3051	3051
2	A_1g	1433	1433
3	A_1g	1021	1021
4	A_1u	312	312
5	A_2u	3048	3048
6	A_2u	1416	1416
7	E_g	3112	3112
7	E_g	3112	3112
8	E_g	1519	1519
8	E_g	1519	1519
9	E_g	1225	1225
9	E_g	1224	1224
10	E_u	3135	3135
10	E_u	3135	3135
11	E_u	1520	1520
11	E_u	1520	1520
12	E_u	824	824
12	E_u	824	824

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.763
C2	0.000	0.000	-0.763
H3	0.000	1.017	1.158
H4	-0.880	-0.508	1.158
H5	0.880	-0.508	1.158
H6	0.000	-1.017	-1.158
H7	-0.880	0.508	-1.158
H8	0.880	0.508	-1.158

	C1	C2	H3	H4	H5	H6	H7	H8
C1		1.5254	1.0908	1.0908	1.0908	2.1733	2.1733	2.1733
C2	1.5254		2.1733	2.1733	2.1733	1.0908	1.0908	1.0908
H3	1.0908	2.1733		1.7609	1.7609	3.0821	2.5295	2.5295
H4	1.0908	2.1733	1.7609		1.7609	2.5295	2.5295	3.0821
H5	1.0908	2.1733	1.7609	1.7609		2.5295	3.0821	2.5295
H6	2.1733	1.0908	3.0821	2.5295	2.5295		1.7609	1.7609
H7	2.1733	1.0908	2.5295	2.5295	3.0821	1.7609		1.7609
H8	2.1733	1.0908	2.5295	3.0821	2.5295	1.7609	1.7609

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	111.253	C1	C2	H7	111.253
C1	C2	H8	111.253	C2	C1	H3	111.253
C2	C1	H4	111.253	C2	C1	H5	111.253
H3	C1	H4	107.633	H3	C1	H5	107.633
H4	C1	H5	107.633	H6	C2	H7	107.633
H6	C2	H8	107.633	H7	C2	H8	107.633

All results from a given calculation for C₂H₆ (Ethane)

using model chemistry: MP4=FULL/6-311+G(3df,2p)

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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All results from a given calculation for C2H6 (Ethane)

using model chemistry: MP4=FULL/6-311+G(3df,2p)

States and conformations

All results from a given calculation for C₂H₆ (Ethane)